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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Runt-Related Transcription Factor 1 Isoform AML1C' and Ligand = 'BDBM29668'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens (Human))
BDBM29668
PNG
(2-(1-{[4-(2,5-Dimethyl-phenyl)-thiazol-2-yl]-hydra...)
Show SMILES CC(N=Nc1nc(cs1)-c1cc(C)ccc1C)c1cc2c(ccc3ccccc23)oc1=O
Show InChI InChI=1S/C26H21N3O2S/c1-15-8-9-16(2)20(12-15)23-14-32-26(27-23)29-28-17(3)21-13-22-19-7-5-4-6-18(19)10-11-24(22)31-25(21)30/h4-14,17H,1-3H3
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.01E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens (Human))
BDBM29668
PNG
(2-(1-{[4-(2,5-Dimethyl-phenyl)-thiazol-2-yl]-hydra...)
Show SMILES CC(N=Nc1nc(cs1)-c1cc(C)ccc1C)c1cc2c(ccc3ccccc23)oc1=O
Show InChI InChI=1S/C26H21N3O2S/c1-15-8-9-16(2)20(12-15)23-14-32-26(27-23)29-28-17(3)21-13-22-19-7-5-4-6-18(19)10-11-24(22)31-25(21)30/h4-14,17H,1-3H3
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.01E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to use HTS to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC, a potential thera...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DV1H7P
More data for this
Ligand-Target Pair